Information card for entry 7056957

Structure parameters

• Formula: C28 H29 N3
• Calculated formula: C28 H29 N3
• Title of publication: Synthesis, crystal structures, one/two-photon optical properties and bioimaging application of two organic molecules with D‒A and D‒π‒A models containing 6-phenyl-2,2′-bipyridine
• Authors of publication: Liu, Zhaodi; Hao, Fuying; Liu, Jie; Zhu, Yingzhong; Du, Wei; Zhang, Qiong; Wu, Jieying
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 3947
• a: 9.7012 ± 0.0012 Å
• b: 15.2517 ± 0.0018 Å
• c: 15.9105 ± 0.0019 Å
• α: 90°
• β: 99.164 ± 0.002°
• γ: 90°
• Cell volume: 2324.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2203
• Weighted residual factors for all reflections included in the refinement: 0.2559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No